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1dfi

X-RAY STRUCTURE OF ESCHERICHIA COLI ENOYL REDUCTASE WITH BOUND NAD

Method: X-RAY DIFFRACTION D_max: 97.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dfi
deposition_date	1997-01-16
title	X-RAY STRUCTURE OF ESCHERICHIA COLI ENOYL REDUCTASE WITH BOUND NAD
keywords	OXIDOREDUCTASE, LIPID BIOSYNTHESIS; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	29.13 Å
rg_electron	28.28 Å
i0	189932000.00
molecular_weight	107260.0 kDa
excluded_volume	133120 Å³
envelope_volume	154360 Å³
shell_volume	43779 Å³
envelope_diameter	94.0 Å
shell_rg	37.11 Å
envelope_rg	28.34 Å
shape_rg	28.28 Å
total_rg	28.98 Å
total_atoms	7512
n_residues	988
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	97.6 Å
rg_real	28.99 Å
rg_real_error	0.63 Å
i0_real	1.8990e+08
i0_real_error	2.7170e+06
rg_reciprocal	29.05 Å
i0_reciprocal	189900000.0000
total_estimate	0.8015
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	36.2 Å
skewness	0.206
kurtosis	-0.397
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	72590000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.807; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ENOYL ACYL CARRIER PROTEIN REDUCTASE
formula_weight	27761.7 kDa
ec_number	1.3.1.9
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	7839

GFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIVLQCDVAEDASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIAAMNELELK

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli BL21

Entity 2 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	327

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6. Citations (2)

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length_a	74.000 Å
length_b	81.200 Å
length_c	79.000 Å
angle_alpha	90.00 °
angle_beta	92.90 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.090 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1620
r_free	—

fit	/app/data/saxs_computation/df/1dfi/1dfi.fit
pddf	/app/data/pr_computation/df/1dfi/1dfi.pr.out
profile	/app/data/saxs_computation/df/1dfi/1dfi.dat

X-RAY STRUCTURE OF ESCHERICHIA COLI ENOYL REDUCTASE WITH BOUND NAD

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction